[2-oxidanylidene-2-[4-(phenylmethyl)piperidin-1-yl]ethyl] 3-(azepan-1-ylsulfonyl)-4-methoxy-benzoate

Systemtic Name: [2-oxidanylidene-2-[4-(phenylmethyl)piperidin-1-yl]ethyl] 3-(azepan-1-ylsulfonyl)-4-methoxy-benzoate Openeye Name: [2-(4-benzyl-1-piperidyl)-2-oxo-ethyl] 3-(azepan-1-ylsulfonyl)-4-methoxy-benzoate CAS Name: 3-(1-azepanylsulfonyl)-4-methoxybenzoic acid [2-oxo-2-[4-(phenylmethyl)-1-piperidinyl]ethyl] ester IUPAC Name: [2-(4-benzylpiperidin-1-yl)-2-oxoethyl] 3-(azepan-1-ylsulfonyl)-4-methoxybenzoate Traditional Name: 3-(azepan-1-ylsulfonyl)-4-methoxy-benzoic acid [2-(4-benzylpiperidino)-2-keto-ethyl] ester Formula: C28H36N2O6S MolecularWeight: 528.66024

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)OCC(=O)N2CCC(CC2)CC3=CC=CC=C3)S(=O)(=O)N4CCCCCC4

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)OCC(=O)N2CCC(CC2)CC3=CC=CC=C3)S(=O)(=O)N4CCCCCC4

InChI

InChI=1S/C28H36N2O6S/c1-35-25-12-11-24(20-26(25)37(33,34)30-15-7-2-3-8-16-30)28(32)36-21-27(31)29-17-13-23(14-18-29)19-22-9-5-4-6-10-22/h4-6,9-12,20,23H,2-3,7-8,13-19,21H2,1H3